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I've thought a little about the current `global const` nest of variables.
I think the best way to deal with this may be to pass around an explicit `TightBindingModel` type.
Something like:
```…
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In trying to understand a numerical instability in a high fidelity linear simulation, I have discovered a numerical instability that affects electrostatic stella. In the attached .zip file is a cyclon…
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as outlined in https://github.com/peterrum/pf-applications/pull/381#issue-1529635722
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### -> submitter ORCID (or name)
0000-0002-2207-6837
### -> slug
sandifordcraig-2023-subduction
### -> license
CC-BY-4.0
### -> alternative license URL
_No response_
### -> mod…
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While analyzing possible regressions from MSL 4.0.0 to 4.1.0 in OpenModelica, we found issues with several Spice3 model:
```
Modelica.Electrical.Spice3.Examples.Inverter
Modelica.Electrical.Spice3.…
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@mrshirts @jpotoff @msoroush
> section 3.4: this case study ignores a paper where a Mie force field (also lamda=16) was earlier proposed for cyclohexane, with (I guess) essentially the same result…
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This is a simplified version of Homer's adjoint variable method. Homer's current version has several great features, but the core functionality still seems slightly buggy. Specifically, the adjoint gr…
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Consider this function:
```julia
sq(x) = x==1 ? one(x) : x^2
@test FiniteDifferences.central_fdm(5, 1)(sq, 1) ≈ 2.0
@test_broken ForwardDiff.derivative(sq, 1.0) == 2.0
```
Here `ForwardDiff` g…
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Dear All,
it is time to decide how to use our grant.
As I said we have
> - 250.000 core-hours on Fermi, CINECA, Italy, a [BlueGene/Q](http://www.hpc.cineca.it/content/ibm-fermi-user-guide#systemar…
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Reviewer `#3` (Remarks to the Author):
In Table 6, why are the computational domains chosen as cubics for all proteins for APBS? It is unfair for APBS in terms of efficiency.
In Table 7, solvat…